2-(4-butoxyphenyl)-8-chloranyl-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-(4-butoxyphenyl)-8-chloranyl-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Openeye Name: 2-(4-butoxyphenyl)-8-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)quinoline-4-carboxamide CAS Name: 2-(4-butoxyphenyl)-8-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(4-butoxyphenyl)-8-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(4-butoxyphenyl)-8-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)cinchoninamide Formula: C31H30ClN3O2S MolecularWeight: 544.1068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C#N

InChI

InChI=1S/C31H30ClN3O2S/c1-3-5-15-37-21-12-10-20(11-13-21)27-17-24(23-7-6-8-26(32)29(23)34-27)30(36)35-31-25(18-33)22-14-9-19(4-2)16-28(22)38-31/h6-8,10-13,17,19H,3-5,9,14-16H2,1-2H3,(H,35,36)